1-(4-pentan-3-ylpiperazin-4-ium-1-yl)-2-phenyl-ethanone

Systemtic Name: 1-(4-pentan-3-ylpiperazin-4-ium-1-yl)-2-phenyl-ethanone Openeye Name: 1-[4-(1-ethylpropyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-(4-pentan-3-yl-1-piperazin-4-iumyl)-2-phenylethanone IUPAC Name: 1-(4-pentan-3-ylpiperazin-4-ium-1-yl)-2-phenylethanone Traditional Name: 1-[4-(1-ethylpropyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CCC(CC)[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H26N2O/c1-3-16(4-2)18-10-12-19(13-11-18)17(20)14-15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3/p+1